ethyl 3-(2-chlorophenyl)-5,7-dimethyl-2-(methylcarbamothioyloxymethyl)-4-oxidanylidene-quinazoline-6-carboxylate

Systemtic Name: ethyl 3-(2-chlorophenyl)-5,7-dimethyl-2-(methylcarbamothioyloxymethyl)-4-oxidanylidene-quinazoline-6-carboxylate Openeye Name: ethyl 3-(2-chlorophenyl)-5,7-dimethyl-2-(methylcarbamothioyloxymethyl)-4-oxo-quinazoline-6-carboxylate CAS Name: 3-(2-chlorophenyl)-5,7-dimethyl-2-[[methylamino(sulfanylidene)methoxy]methyl]-4-oxo-6-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-chlorophenyl)-5,7-dimethyl-2-(methylcarbamothioyloxymethyl)-4-oxoquinazoline-6-carboxylate Traditional Name: 3-(2-chlorophenyl)-4-keto-5,7-dimethyl-2-(methylthiocarbamoyloxymethyl)quinazoline-6-carboxylic acid ethyl ester Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C1C)N=C(N(C2=O)C3=CC=CC=C3Cl)COC(=S)NC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C1C)N=C(N(C2=O)C3=CC=CC=C3Cl)COC(=S)NC)C

InChI

InChI=1S/C22H22ClN3O4S/c1-5-29-21(28)18-12(2)10-15-19(13(18)3)20(27)26(16-9-7-6-8-14(16)23)17(25-15)11-30-22(31)24-4/h6-10H,5,11H2,1-4H3,(H,24,31)